(2S,3S)-2,3-bis(oxidanyl)butanedioic acid; 2-[(3R)-piperidin-3-yl]isoindole-1,3-dione

Systemtic Name: (2S,3S)-2,3-bis(oxidanyl)butanedioic acid; 2-[(3R)-piperidin-3-yl]isoindole-1,3-dione Openeye Name: (2S,3S)-2,3-dihydroxybutanedioic acid; 2-[(3R)-3-piperidyl]isoindoline-1,3-dione CAS Name: (2S,3S)-2,3-dihydroxybutanedioic acid; 2-[(3R)-3-piperidinyl]isoindole-1,3-dione IUPAC Name: (2S,3S)-2,3-dihydroxybutanedioic acid; 2-[(3R)-piperidin-3-yl]isoindole-1,3-dione Traditional Name: (2S,3S)-2,3-dihydroxysuccinic acid; 2-[(3R)-3-piperidyl]isoindoline-1,3-quinone Formula: C30H34N4O10 MolecularWeight: 610.61176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N2C(=O)C3=CC=CC=C3C2=O.C1CC(CNC1)N2C(=O)C3=CC=CC=C3C2=O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1C[C@H](CNC1)N2C(=O)C3=CC=CC=C3C2=O.C1C[C@H](CNC1)N2C(=O)C3=CC=CC=C3C2=O.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/2C13H14N2O2.C4H6O6/c2*16-12-10-5-1-2-6-11(10)13(17)15(12)9-4-3-7-14-8-9;5-1(3(7)8)2(6)4(9)10/h2*1-2,5-6,9,14H,3-4,7-8H2;1-2,5-6H,(H,7,8)(H,9,10)/t2*9-;1-,2-/m110/s1